5-chloranyl-2-phenethylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-phenethylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-phenethylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-(phenethylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-phenethylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(phenethylthio)pyrimidine-4-carboxylic acid Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O2S/c14-10-8-15-13(16-11(10)12(17)18)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)